ChemSpider 2D Image | Tryptophylmethionyl-alpha-aspartylphenylalaninamide | C29H36N6O6S

Tryptophylmethionyl-α-aspartylphenylalaninamide

  • Molecular FormulaC29H36N6O6S
  • Average mass596.698 Da
  • Monoisotopic mass596.241699 Da
  • ChemSpider ID3534324

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Phenylalaninamide, tryptophylmethionyl-α-aspartyl- [ACD/Index Name]
Tryptophylmethionyl-α-asparagylphenylalaninamid [German] [ACD/IUPAC Name]
Tryptophylmethionyl-α-aspartylphenylalaninamide [ACD/IUPAC Name]
Tryptophylméthionyl-α-aspartylphénylalaninamide [French] [ACD/IUPAC Name]
(3S)-3-[[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
1947-37-1 [RN]
3-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
3-{2-[2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido}-3-[(1-carbamoyl-2-phenylethyl)carbamoyl]propanoic acid
3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1070.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.3±3.0 kJ/mol
Flash Point: 600.9±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

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